RefChem:268028
TL;DR: RefChem:268028 (CAS 78587-69-6) is a chemical compound with molecular formula C18H14FNO4 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Also Known As: 3-(4-Fluorophenyl)-alpha-methyl-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-alpha-methyl-2-oxo-, methyl ester, methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate, methyl 2-[3-(4-fluorophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]propanoate, BRN 4545168
| Molecular Formula | C18H14FNO4 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0907 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 78587-69-6 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)F)C(=O)OC |
| InChIKey | BSAFMCYXUMSXKA-UHFFFAOYSA-N |
Product Overview
RefChem:268028 (CAS 78587-69-6), with molecular formula C18H14FNO4 and molecular weight 327.09 g/mol. IUPAC: methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate.
Chemical Property Profile of RefChem:268028
Property Insights of RefChem:268028
The XLogP value of 3.4 indicates that RefChem:268028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268028. Following Lipinski's Rule of Five, RefChem:268028 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268028?
The CAS number of RefChem:268028 is 78587-69-6.
What is the molecular formula of RefChem:268028?
The molecular formula of RefChem:268028 is C18H14FNO4.
What is the molecular weight of RefChem:268028?
The molecular weight of RefChem:268028 is 327.09 g/mol.
Where can I buy RefChem:268028?
You can request a quote for RefChem:268028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268028?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.